O-Xylene
TL;DR: O-Xylene (CAS 95-47-6) is a chemical compound with molecular formula C8H10 and molecular weight 106.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-xylene
Also Known As: O-XYLENE, 1,2-Dimethylbenzene, 1,2-Xylene, Ortho-Xylene, Xylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10 |
| Molecular Weight | 106.07825 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.07825 Da |
| Heavy Atoms | 8 |
| Complexity | 56.0 |
| Melting Point | -13 to -9 °F (NTP, 1992) |
| Boiling Point | 289 to 293 °F at 760 mmHg (NTP, 1992) |
| Density | 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 63 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 89.8 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5058 at 20 °C/D |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CC1=CC=CC=C1C |
| InChIKey | CTQNGGLPUBDAKN-UHFFFAOYSA-N |
Product Description
Applications: O-Xylene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
O-Xylene is a heterocyclic building block identified by CAS number 95-47-6 and the molecular formula C8H10 and a molecular weight of 106.08 g/mol. Physically, the compound has a density of 0.88 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Insoluble (NTP, 1992). Synonyms include O-XYLENE and 1,2-Dimethylbenzene.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of O-Xylene
Property Insights of O-Xylene
The XLogP value of 3.1 indicates that O-Xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, O-Xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Xylene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O-Xylene?
The CAS number of O-Xylene is 95-47-6.
What is the molecular formula of O-Xylene?
The molecular formula of O-Xylene is C8H10.
What is the molecular weight of O-Xylene?
The molecular weight of O-Xylene is 106.07825 g/mol.
What are the applications of O-Xylene?
O-Xylene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy O-Xylene?
You can request a quote for O-Xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Xylene?
Yes, CoreyChem provides custom synthesis services for O-Xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.